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The Molecular and Crystal Structure of p‐methyl‐phenyl‐glyoxyacid‐p‐chloranilide
Author(s) -
Höhne E.,
Seidel I.
Publication year - 1979
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19790140910
Subject(s) - intramolecular force , crystallography , monoclinic crystal system , crystal structure , intermolecular force , molecule , chemistry , hydrogen bond , acceptor , oxygen atom , stereochemistry , physics , organic chemistry , condensed matter physics
Using X‐ray crystal structure analysis of the title compound the positions of all the atoms (including all H atoms) in the monoclinic unit cell with the parameters a = 13.90 0 Å, b = 5.13 8 Å, c = 17.95 6 Å and β = 91.05° and the space group P 2 1 /n were localized. The existence of an intramolecular N—H(N)… O(1)‐bridge was inferred, whose H‐bridge acceptor predominantly is the π‐electron density of the carbonyl group. At the same time the H(N) atom participates in the intermolecular bridge NH(N)… O′(1) to the symmetry‐equivalent neighbouring molecule. H‐bridge‐like interactions of the two phenyl hydrogen atoms H(6) and H(15) to the carbonyl oxygen O(2) have also been inferred from the torsion angles.